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+% --------------------------------------------------------------------------
+% the SUBSTANCES package
+%
+% A Chemical Database
+%
+% --------------------------------------------------------------------------
+% Clemens Niederberger
+% Web: https://bitbucket.org/cgnieder/substances/
+% E-Mail: contact@mychemistry.eu
+% --------------------------------------------------------------------------
+% Copyright 2012 Clemens Niederberger
+%
+% This work may be distributed and/or modified under the
+% conditions of the LaTeX Project Public License, either version 1.3
+% of this license or (at your option) any later version.
+% The latest version of this license is in
+% http://www.latex-project.org/lppl.txt
+% and version 1.3 or later is part of all distributions of LaTeX
+% version 2005/12/01 or later.
+%
+% This work has the LPPL maintenance status `maintained'.
+%
+% The Current Maintainer of this work is Clemens Niederberger.
+% --------------------------------------------------------------------------
+% The substances package consists of the files
+% - substances.sty, substances-default.def, substances-examples.sub,
+% substances_en.tex, substances_en.pdf, README
+% --------------------------------------------------------------------------
+% If you have any ideas, questions, suggestions or bugs to report, please
+% feel free to contact me.
+% --------------------------------------------------------------------------
+%
+% example database to the package `substances'
+%
+\DeclareChemIUPAC\normal{\textit{n}}
+\DeclareSubstance{NaCl}{
+ name = Sodium\|chloride ,
+ sort = Sodiumchloride ,
+ formula = NaCl ,
+ CAS = 7647-14-5,
+ mass = 58.44 ,
+ mp = 801 ,
+ bp = 1465 ,
+ phase = solid ,
+ density = 2.17
+}
+
+\DeclareSubstance{HCl}{
+ name = Hydro\|chloric Acid ,
+ formula = HCl ,
+ CAS = 7647-01-0 ,
+ pictograms = {acid,exclam} ,
+ H = {314,335} ,
+ P = {260,301+330+331,303+361+353,305+351+338,405,501} ,
+ mass = 36.46 ,
+ density = 1.19 ,
+ mp = -30
+}
+
+\DeclareSubstance{HNO3}{
+ name = Nitric Acid ,
+ sort = Nitric Acid ,
+ formula = HNO3 ,
+ CAS = 7697-37-2 ,
+ PubChem = 944 ,
+ mass = 63.01 ,
+ density = 1.51 ,
+ mp = -42 ,
+ bp = 86 ,
+ pKa = -1.37 ,
+ pictograms = {flame-O,acid} ,
+ H = {272,314} ,
+ P = {220,280,305+351+338,310}
+}
+
+\DeclareSubstance{H2SO4}{
+ name = Sulfuric Acid ,
+ sort = Sulfuric Acid ,
+ formula = H2SO4 ,
+ structure = {H-[:30]\Lewis{26,O}-S(=[2]\Lewis{13,O})(=[6]\Lewis{57,O})-\Lewis{26,O}-[:-30]H} ,
+ CAS = 7664-93-9 ,
+ PubChem = 1118 ,
+ mass = 98.08 ,
+ density = 1.8356 ,
+ mp = 10.38 ,
+ bp = 279.6 ,
+ phase = liquid ,
+ pKa = -3.0 ,
+ pKa1 = -3.0 ,
+ pKa2 = 1.9 ,
+ pictograms = acid ,
+ H = 314 ,
+ P = {280,301+330+331,309,310,305+351+338} ,
+ LD50 = 510
+}
+
+\DeclareSubstance{methane}{
+ name = Methane ,
+ sort = Methane ,
+ formula = CH4 ,
+ structure = H-C(-[2]H)(-[6]H)-H ,
+ CAS = 74-82-8 ,
+ PubChem = 297 ,
+ pictograms = {flame,bottle} ,
+ H = 220 ,
+ P = {210,377,381,410+403} ,
+ mass = 16.04 ,
+ density = 0.72e-3 ,
+ mp = -182 ,
+ bp = -162 ,
+ phase = gaseous
+}
+
+\DeclareSubstance{ethane}{
+ name = Ethane ,
+ sort = Ethane ,
+ formula = C2H6 ,
+ structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H ,
+ CAS = 74-84-0 ,
+ PubChem = 6324 ,
+ pictograms = {flame,bottle} ,
+ H = 220 ,
+ P = {210,377,381,403} ,
+ mass = 30.07 ,
+ density = 0.72e-3 ,
+ mp = -183 ,
+ bp = -89 ,
+ phase = gaseous
+}
+
+\DeclareSubstance{propane}{
+ name = Propane ,
+ sort = Propane ,
+ formula = C3H8 ,
+ structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H ,
+ CAS = 74-98-6 ,
+ pictograms = {flame,bottle} ,
+ H = 220 ,
+ P = {201,377,381,403} ,
+ mass = 44.10 ,
+ density = 2.01e-3 ,
+ mp = -188 ,
+ bp = -42 ,
+ phase = gaseous
+}
+
+\DeclareSubstance{butane}{
+ name = Butane ,
+ sort = Butane ,
+ alt = \normal\-Butane ,
+ altsort = n-Butane ,
+ formula = C4H10 ,
+ structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H ,
+ CAS = 106-97-8 ,
+ PubChem = 7843 ,
+ pictograms = {flame,bottle} ,
+ H = {220,280} ,
+ P = {201,377,381,403} ,
+ mass = 58.12 ,
+ density = 2.71e-3 ,
+ mp = -138.3 ,
+ bp = -0.5 ,
+ phase = gaseous
+}
+
+\DeclareSubstance{pentane}{
+ name = Pentane ,
+ sort = Pentane ,
+ alt = \normal\-Pentane ,
+ altsort = n-Pentane ,
+ formula = C5H12 ,
+ structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H ,
+ CAS = 109-66-0 ,
+ PubChem = 8003 ,
+ pictograms = {flame,health,exclam,aqpol} ,
+ H = {225,304,336,411} ,
+ EUH = 066 ,
+ P = {273,301+310,331,403+235} ,
+ mass = 72.15 ,
+ density = 0.63 ,
+ mp = -130 ,
+ bp = 36 ,
+ phase = liquid
+}
+
+\DeclareSubstance{hexane}{
+ name = Hexane ,
+ sort = Hexane ,
+ alt = \normal\-Hexane ,
+ altsort = n-Hexane ,
+ formula = C6H14 ,
+ structure = -[:30]-[:-30]-[:30]-[:-30]-[:30] ,
+ CAS = 110-54-3 ,
+ PubChem = 8058 ,
+ pictograms = {flame,health,exclam,aqpol} ,
+ H = {225,361f,304,373,315,336,411} ,
+ P = {210,240,273,301+310,331,302+352,403+235} ,
+ mass = 86.18 ,
+ density = 0.66 ,
+ mp = -95 ,
+ bp = 69 ,
+ phase = liquid
+}
+
+\DeclareSubstance{heptane}{
+ name = Heptane ,
+ sort = Heptane ,
+ alt = \normal\-Heptane ,
+ altsort = n-Heptane ,
+ formula = C7H16 ,
+ structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30] ,
+ CAS = 142-82-5 ,
+ PubChem = 8900 ,
+ pictograms = {flame,health,exclam,aqpol} ,
+ H = {225,304,315,336,410} ,
+ P = {210,273,301+310,331,302+352,403+235} ,
+ mass = 100.21 ,
+ density = 0.68 ,
+ mp = -91 ,
+ bp = 98 ,
+ phase = liquid
+}
+
+\DeclareSubstance{octane}{
+ name = Octane ,
+ sort = Octane ,
+ alt = \normal\-Octane ,
+ altsort = n-Octane ,
+ formula = C8H18 ,
+ structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30] ,
+ CAS = 111-65-9 ,
+ PubChem = 356 ,
+ pictograms = {flame,health,exclam,aqpol} ,
+ H = {225,304,315,336,410} ,
+ P = {210,273,301+330+331,302+352} ,
+ mass = 114.23 ,
+ density = 0.70 ,
+ mp = -56.8 ,
+ bp = 126 ,
+ phase = liquid
+}
+
+\DeclareSubstance{nonane}{
+ name = Nonane ,
+ sort = Nonane ,
+ alt = \normal\-Nonane ,
+ altsort = n-Nonane ,
+ formula = C9H20 ,
+ structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30] ,
+ CAS = 111-84-2 ,
+ PubChem = 8141 ,
+ pictograms = {flame,exclam,health} ,
+ H = {226,304,315,319,332,336,413} ,
+ P = {261,301+310,305+351+338,331} ,
+ mass = 128.26 ,
+ density = 0.72 ,
+ mp = -54 ,
+ bp = 151 ,
+ phase = liquid
+}
+
+\DeclareSubstance{decane}{
+ name = Decane ,
+ sort = Decane ,
+ alt = \normal\-Decane ,
+ altsort = n-Decane ,
+ formula = C10H22 ,
+ structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30] ,
+ CAS = 124-18-5 ,
+ PubChem = 15600 ,
+ pictograms = {flame,health} ,
+ H = {226,304} ,
+ P = {210,260,262,301+310,331} ,
+ mass = 142.29 ,
+ density = 0.73 ,
+ mp = -29.7 ,
+ bp = 174 ,
+ phase = liquid
+}
+
+\DeclareSubstance{acetone}{
+ name = Propanone ,
+ sort = Propanone ,
+ alt = Acetone ,
+ altsort = Acetone ,
+ formula = C3H6O ,
+ structure = {-[:30](=[2]\Lewis{13,O})-[:-30]} ,
+ CAS = 67-64-1 ,
+ PubChem = 180 ,
+ mass = 58.08 ,
+ density = 0.79 ,
+ mp = -95 ,
+ bp = 56 ,
+ pictograms = {flame,exclam} ,
+ H = {225,319,336} ,
+ EUH = {066} ,
+ P = {210,233,305+351+338} ,
+ LD50 = 5800
+}
+
+\endinput \ No newline at end of file
generated by cgit v1.2.3 (git 2.39.1) at 2024-11-04 19:31:07 +0000